2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile

C44H28N4 — CID 163584925

IUPAC2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c(C#N)c2)cc(-n2c3c(c4ccccc42)C=CCC3)c1
InChIInChI=1S/C44H28N4/c45-27-29-23-31(26-33(24-29)47-40-16-6-2-12-36(40)37-13-3-7-17-41(37)47)30-21-22-34(32(25-30)28-46)35-11-1-8-18-42(35)48-43-19-9-4-14-38(43)39-15-5-10-20-44(39)48/h1-6,8-16,18-26H,7,17H2
InChIKeyGKRFDOBPTXRVMM-UHFFFAOYSA-N
MW612.74 g/mol
LogP10.76
Rot. Bonds4

About 2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile

2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile (PubChem CID 163584925) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile
PubChem CID163584925
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c(C#N)c2)cc(-n2c3c(c4ccccc42)C=CCC3)c1
InChIInChI=1S/C44H28N4/c45-27-29-23-31(26-33(24-29)47-40-16-6-2-12-36(40)37-13-3-7-17-41(37)47)30-21-22-34(32(25-30)28-46)35-11-1-8-18-42(35)48-43-19-9-4-14-38(43)39-15-5-10-20-44(39)48/h1-6,8-16,18-26H,7,17H2
InChIKeyGKRFDOBPTXRVMM-UHFFFAOYSA-N
XLogP10.76
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[5-cyano-2-[3-cyano-5-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 167280770
9-[2-[2-[2-cyano-4-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 167279994
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081007
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile
CID 167280339
5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 163927209
2-(3-carbazol-9-yl-5-cyanophenyl)-5-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604960
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155081382
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
9-[3-cyano-2-[3-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]-7,8-dihydrocarbazole-4-carbonitrile
CID 167280509
9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 155080823
2-(5a,6-dihydro-[1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 155299799

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile (CID 163584925) is 2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile is N#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c(C#N)c2)cc(-n2c3c(c4ccccc42)C=CCC3)c1.
What is the InChIKey of 2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is GKRFDOBPTXRVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c45-27-29-23-31(26-33(24-29)47-40-16-6-2-12-36(40)37-13-3-7-17-41(37)47)30-21-22-34(32(25-30)28-46)35-11-1-8-18-42(35)48-43-19-9-4-14-38(43)39-15-5-10-20-44(39)48/h1-6,8-16,18-26H,7,17H2.
What are the key properties of 2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile?
2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 612.74 g/mol, XLogP of 10.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 163584925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).